4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile

C17H15FN2O — CID 62035950

IUPAC4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)Cc1ccccc1F
InChIInChI=1S/C17H15FN2O/c1-20(11-15-4-2-3-5-16(15)18)12-17(21)14-8-6-13(10-19)7-9-14/h2-9H,11-12H2,1H3
InChIKeyUBEIESZXUREDRB-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile

4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile (PubChem CID 62035950) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
PubChem CID62035950
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
SMILESCN(CC(=O)c1ccc(C#N)cc1)Cc1ccccc1F
InChIInChI=1S/C17H15FN2O/c1-20(11-15-4-2-3-5-16(15)18)12-17(21)14-8-6-13(10-19)7-9-14/h2-9H,11-12H2,1H3
InChIKeyUBEIESZXUREDRB-UHFFFAOYSA-N
XLogP3.01
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 60650512
4-[2-[benzyl(methyl)amino]acetyl]benzonitrile
CID 60679544
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
4-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]benzonitrile
CID 62982737
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
CID 62034806
4-[2-[butyl(methyl)amino]acetyl]benzonitrile
CID 43227818
N-(2-cyanoethyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 18124298
4-[3-[(2-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 51160367

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile?
The IUPAC name of 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile (CID 62035950) is 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile.
What is the SMILES notation for 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile?
The canonical SMILES for 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile is CN(CC(=O)c1ccc(C#N)cc1)Cc1ccccc1F.
What is the InChIKey of 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile?
The InChIKey is UBEIESZXUREDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-20(11-15-4-2-3-5-16(15)18)12-17(21)14-8-6-13(10-19)7-9-14/h2-9H,11-12H2,1H3.
What are the key properties of 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile?
4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile has a molecular weight of 282.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile is sourced from PubChem (CID 62035950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).